Molecule

ID:86502

General Information

Structure

MolImage

Molecular Formula

C₇H₁₀BrN

Molecular Mass

188.065

Exact Mass

186.99966133

Charge

0

InChI

InChI=1S/C7H10BrN/c1-7(8)5-3-2-4-6-9/h1-5H2

InChIKey

JFGPFGXVCVBBMK-UHFFFAOYSA-N

Canonic Smiles

N#CCCCCC(=C)Br

Isomeric Smiles

BrC(=C)CCCCC#N

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

2.2549891

LogD (pH = 7.4)

2.2549891

Log P

2.2549891

Molar Refractivity

42.3862

Polarizability

15.956274

Polar Surface Area

23.79

Rotatable Bonds

4

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity